2,5-Dibromobenzothiazole

• CAS: 1019111-64-8
• Catalog Number: ACM1019111648
• Category: Bromine Series
• Molecular Weight: 292.978420 [g/mol]
• Molecular Formula: C₇H₃Br₂NS
• Synonyms: 2,5-DIBROMO-BENZOTHIAZOLE, 1019111-64-8, 2,5-DIBROMOBENZOTHIAZOLE, 2,5-dibromobenzo[d]thiazole, PubChem17321, Benzothiazole,2,5-dibromo-, 2,5-dibromo-1,3-benzothiazole, CTK4A0392, MolPort-009-199-244, ANW-51955, AKOS005146192, AG-L-20099, AK-46567, BR-46567, KB-17828, KB-75397, X8582, A16299, I14-11559
• IUPAC Name: 2,5-dibromo-1,3-benzothiazole
• Canonical SMILES: C1=CC2=C(C=C1Br)N=C(S2)Br
• InChI Key: XJVJGOIARLIDRN-UHFFFAOYSA-N
• Boiling Point: 352.472ºC at 760 mmHg
• Flash Point: 166.969ºC
• Density: 2.114 g/cm³
• Exact Mass: 290.83500
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2,5-dibromobenzothiazole?

The molecular formula of 2,5-dibromobenzothiazole is C7H3Br2NS.

What is the molecular weight of 2,5-dibromobenzothiazole?

The molecular weight of 2,5-dibromobenzothiazole is 292.98 g/mol.

What is the IUPAC name of 2,5-dibromobenzothiazole?

The IUPAC name of 2,5-dibromobenzothiazole is 2,5-dibromo-1,3-benzothiazole.

What is the InChI of 2,5-dibromobenzothiazole?

The InChI of 2,5-dibromobenzothiazole is InChI=1S/C7H3Br2NS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H.

What is the InChIKey of 2,5-dibromobenzothiazole?

The InChIKey of 2,5-dibromobenzothiazole is XJVJGOIARLIDRN-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-dibromobenzothiazole?

The canonical SMILES of 2,5-dibromobenzothiazole is C1=CC2=C(C=C1Br)N=C(S2)Br.

What is the CAS number of 2,5-dibromobenzothiazole?

The CAS number of 2,5-dibromobenzothiazole is 1019111-64-8.

What is the XLogP3-AA value of 2,5-dibromobenzothiazole?

The XLogP3-AA value of 2,5-dibromobenzothiazole is 4.1.

Is 2,5-dibromobenzothiazole considered a canonicalized compound?

Yes, 2,5-dibromobenzothiazole is considered a canonicalized compound.